Please leave rdkit-discuss on your replies so that the entire discussion is
public.
The problem here is that [I-].[K+] is not a molecule. It's two separate
ions. The SMILES does not imply any sort of bond between them.
Here's the explanation of this from the Daylight Theory Manual (
https://www.da
Hi,
The RDKit's valence model does not include explicit ionic bonds.
There may be a useful workaround though... can you please provide an
example molecule that you would like to work with?
Thanks,
-greg
On Mon, Aug 10, 2020 at 11:09 AM Behnaz Hoseyni
wrote:
> Hello. Thank you for your very go
Hello. Thank you for your very good module. I needed to find the ionic
bonds of the molecules, but I could not find the correct order in Rdkit.
GetBondType() only give single,Double, Triple & aromatic, But i need to get
ionic bond.Please help me.
thank you advance
__
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